(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate

C9H11BrN2O2 — CID 174161433

IUPAC(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate
SMILESCc1c(Br)cncc1OC(=O)N(C)C
InChIInChI=1S/C9H11BrN2O2/c1-6-7(10)4-11-5-8(6)14-9(13)12(2)3/h4-5H,1-3H3
InChIKeyPIROQCZNPIWLEE-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.21
Rot. Bonds1

About (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate

(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate (PubChem CID 174161433) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate
PubChem CID174161433
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate
SMILESCc1c(Br)cncc1OC(=O)N(C)C
InChIInChI=1S/C9H11BrN2O2/c1-6-7(10)4-11-5-8(6)14-9(13)12(2)3/h4-5H,1-3H3
InChIKeyPIROQCZNPIWLEE-UHFFFAOYSA-N
XLogP2.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
CID 125485280
3-bromo-5-(difluoromethoxy)-4-methylpyridine
CID 121227905
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
(5-bromo-4-methyl-3-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 155271141
(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate
CID 167327371
(2-bromo-1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
CID 3040058
[4-bromo-2-[1-(ethylideneamino)prop-1-enyl]phenyl] N,N-dimethylcarbamate
CID 123949108
CID 58664417
CID 58664417
(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid
CID 58654509
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate
CID 141398917

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate?
The IUPAC name of (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate (CID 174161433) is (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate?
The canonical SMILES for (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate is Cc1c(Br)cncc1OC(=O)N(C)C.
What is the InChIKey of (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate?
The InChIKey is PIROQCZNPIWLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6-7(10)4-11-5-8(6)14-9(13)12(2)3/h4-5H,1-3H3.
What are the key properties of (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate?
(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate has a molecular weight of 259.10 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate is sourced from PubChem (CID 174161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).